Muqubilone

Molecule SVG Image

Properties Simple | Detailed

Formula C24H40O6
IUPAC Name (2s)-2-[(3r,6s)-6-methyl-6-[(e)-4,8,8-trimethyl-7,12-dioxo-tridec-3-enyl]dioxan-3-yl]propanoic acid
Molecular Mass 424.571 g·mol−1
Heat of Formation -1129.3 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 564.95 Å 3
Surface Area 443.69 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3r,6s)-6-[(e)-7,12-diketo-4,8,8-trimethyl-tridec-3-enyl]-6-methyl-dioxan-3-yl]propionic acid
  • (2s)-2-[(3r,6s)-6-methyl-6-[(e)-4,8,8-trimethyl-7,12-dioxo-tridec-3-enyl]-1,2-dioxan-3-yl]propanoic acid
  • (2s)-2-[(3r,6s)-6-methyl-6-[(e)-4,8,8-trimethyl-7,12-dioxo-tridec-3-enyl]dioxan-3-yl]propanoic acid
  • (2s)-2-[(3r,6s)-6-methyl-6-[(e)-4,8,8-trimethyl-7,12-dioxotridec-3-enyl]-3-dioxanyl]propanoic acid
  • (2s)-2-[(3r,6s)-6-methyl-6-[(e)-4,8,8-trimethyl-7,12-dioxotridec-3-enyl]dioxan-3-yl]propanoic acid
InChIKey UCWHHFGTUDDROG-VOXNSMEVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O